Contains the keyword BASIS-SETS
Structure and Dynamics of the 1-Hydroxyethyl-4-amino-1,2,4-triazolium Nitrate High-Energy Ionic Liquid System. J Phys Chem B. 2012;116:503-12. Abstract
The dispersion interaction between quantum mechanics and effective fragment potential molecules. J Chem Phys. 2012;136:244107. Abstract
Two-component natural spinors from two-step spin-orbit coupled wave functions. J Chem PhysJ Chem Phys. 2011;134:214107. Abstract
Optimizing Conical Intersections by Spin-Flip Density Functional Theory: Application to Ethylene. J Phys Chem A. 2009;113:12749-53. Abstract
Comparison of Nitroaldol Reaction Mechanisms Using Accurate Ab Initio Calculations. J Phys Chem A. 2008;112:10635-49. Abstract
Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer. J Comput Chem. 2007;28:276-91. Abstract
















